USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 114:sc= -0.976! USER MOD Set 1.2: A 79 LYS NZ :NH3+ 149:sc= 0.673 (180deg=-2.75!) USER MOD Set 2.1: A 24 MET CE :methyl -137:sc= -10.5! (180deg=-7.2!) USER MOD Set 2.2: A 39 CYS SG : rot -8:sc= -6.54! USER MOD Set 2.3: A 45 CYS SG : rot 160:sc= -3.15! USER MOD Set 2.4: A 48 CYS SG : rot -152:sc= -2.36! USER MOD Set 2.5: A 70 MET CE :methyl 146:sc= -27.6! (180deg=-32.9!) USER MOD Set 2.6: A 86 CYS SG : rot -123:sc= -16.5! USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 GLN : amide:sc= -23.5! C(o=-24!,f=-25!) USER MOD Single : A 1 SER N :NH3+ -103:sc= -7.26! (180deg=-11.6!) USER MOD Single : A 1 SER OG : rot 142:sc= -1.29! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -100:sc= -3.18! USER MOD Single : A 7 SER OG : rot -60:sc= -0.186 USER MOD Single : A 8 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-5.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 77:sc= -1.05! USER MOD Single : A 30 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 15:sc= 0.832 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 49 HIS : no HD1:sc= -23.4! C(o=-23!,f=-26!) USER MOD Single : A 53 ASN : amide:sc= -8.56! C(o=-8.6!,f=-18!) USER MOD Single : A 57 THR OG1 : rot -130:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -4.43! C(o=-4.4!,f=-19!) USER MOD Single : A 73 CYS SG : rot 116:sc= 0.00973 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.226 K(o=-0.23,f=-10!) USER MOD Single : A 82 SER OG : rot -60:sc= -7.08! USER MOD Single : A 85 SER OG : rot 160:sc= -2.66! USER MOD Single : A 87 GLN : amide:sc= -1.72! C(o=-1.7!,f=-1.5!) USER MOD Single : A 90 MET CE :methyl 170:sc= -5.53! (180deg=-6.09!) USER MOD Single : A 91 THR OG1 : rot 179:sc= -2.13! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.547 -10.218 -7.518 1.00 0.00 N ATOM 2 CA SER A 1 2.386 -9.990 -8.736 1.00 0.00 C ATOM 3 C SER A 1 3.694 -9.299 -8.355 1.00 0.00 C ATOM 4 O SER A 1 4.150 -9.376 -7.232 1.00 0.00 O ATOM 5 CB SER A 1 1.560 -9.077 -9.645 1.00 0.00 C ATOM 6 OG SER A 1 1.279 -9.756 -10.862 1.00 0.00 O ATOM 0 H1 SER A 1 1.610 -11.217 -7.235 1.00 0.00 H new ATOM 0 H2 SER A 1 1.890 -9.616 -6.743 1.00 0.00 H new ATOM 0 H3 SER A 1 0.557 -9.980 -7.729 1.00 0.00 H new ATOM 0 HA SER A 1 2.642 -10.929 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.631 -8.795 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.106 -8.155 -9.847 1.00 0.00 H new ATOM 0 HG SER A 1 0.369 -9.540 -11.154 1.00 0.00 H new ATOM 14 N LYS A 2 4.291 -8.613 -9.287 1.00 0.00 N ATOM 15 CA LYS A 2 5.564 -7.896 -8.991 1.00 0.00 C ATOM 16 C LYS A 2 5.242 -6.584 -8.282 1.00 0.00 C ATOM 17 O LYS A 2 4.539 -5.745 -8.810 1.00 0.00 O ATOM 18 CB LYS A 2 6.194 -7.622 -10.357 1.00 0.00 C ATOM 19 CG LYS A 2 7.712 -7.794 -10.264 1.00 0.00 C ATOM 20 CD LYS A 2 8.360 -7.328 -11.569 1.00 0.00 C ATOM 21 CE LYS A 2 8.666 -5.831 -11.480 1.00 0.00 C ATOM 22 NZ LYS A 2 10.047 -5.689 -12.018 1.00 0.00 N ATOM 0 H LYS A 2 3.952 -8.517 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 2 6.233 -8.468 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.785 -8.305 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.951 -6.611 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.103 -7.218 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.959 -8.839 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.277 -7.887 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.694 -7.525 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.953 -5.247 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.604 -5.476 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.329 -4.688 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.704 -6.251 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.073 -6.029 -13.001 1.00 0.00 H new ATOM 36 N VAL A 3 5.722 -6.397 -7.086 1.00 0.00 N ATOM 37 CA VAL A 3 5.397 -5.139 -6.370 1.00 0.00 C ATOM 38 C VAL A 3 6.663 -4.400 -5.930 1.00 0.00 C ATOM 39 O VAL A 3 7.676 -4.997 -5.624 1.00 0.00 O ATOM 40 CB VAL A 3 4.577 -5.595 -5.167 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.529 -4.489 -4.119 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.159 -5.920 -5.628 1.00 0.00 C ATOM 0 H VAL A 3 6.318 -7.053 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 3 4.856 -4.433 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 3 5.038 -6.479 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.942 -4.823 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.542 -4.252 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.069 -3.599 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.565 -6.247 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.706 -5.031 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.192 -6.715 -6.373 1.00 0.00 H new ATOM 52 N VAL A 4 6.596 -3.097 -5.885 1.00 0.00 N ATOM 53 CA VAL A 4 7.769 -2.290 -5.451 1.00 0.00 C ATOM 54 C VAL A 4 7.315 -1.284 -4.409 1.00 0.00 C ATOM 55 O VAL A 4 6.339 -0.585 -4.582 1.00 0.00 O ATOM 56 CB VAL A 4 8.299 -1.613 -6.709 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.119 -0.376 -6.334 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.184 -2.594 -7.481 1.00 0.00 C ATOM 0 H VAL A 4 5.770 -2.553 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 4 8.555 -2.891 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 4 7.457 -1.308 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.493 0.101 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.489 0.326 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.959 -0.673 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.564 -2.111 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.021 -2.901 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.599 -3.471 -7.759 1.00 0.00 H new ATOM 68 N TYR A 5 7.995 -1.255 -3.311 1.00 0.00 N ATOM 69 CA TYR A 5 7.595 -0.363 -2.197 1.00 0.00 C ATOM 70 C TYR A 5 8.519 0.818 -2.015 1.00 0.00 C ATOM 71 O TYR A 5 9.717 0.697 -2.108 1.00 0.00 O ATOM 72 CB TYR A 5 7.736 -1.278 -1.010 1.00 0.00 C ATOM 73 CG TYR A 5 6.679 -2.312 -1.107 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.344 -1.921 -1.163 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.023 -3.663 -1.166 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.345 -2.879 -1.272 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.032 -4.612 -1.272 1.00 0.00 C ATOM 78 CZ TYR A 5 4.683 -4.234 -1.326 1.00 0.00 C ATOM 79 OH TYR A 5 3.697 -5.194 -1.433 1.00 0.00 O ATOM 0 H TYR A 5 8.825 -1.819 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 5 6.608 0.070 -2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.723 -1.741 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.637 -0.717 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.086 -0.873 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.060 -3.962 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.309 -2.578 -1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.296 -5.658 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 5 3.524 -5.585 -0.551 1.00 0.00 H new ATOM 89 N VAL A 6 7.964 1.954 -1.714 1.00 0.00 N ATOM 90 CA VAL A 6 8.828 3.146 -1.463 1.00 0.00 C ATOM 91 C VAL A 6 8.563 3.698 -0.072 1.00 0.00 C ATOM 92 O VAL A 6 7.434 3.956 0.296 1.00 0.00 O ATOM 93 CB VAL A 6 8.467 4.185 -2.513 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.583 5.233 -2.596 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.319 3.493 -3.853 1.00 0.00 C ATOM 0 H VAL A 6 6.960 2.113 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 6 9.884 2.881 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 6 7.532 4.677 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.326 5.979 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.698 5.719 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.519 4.747 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.060 4.228 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.259 3.010 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.531 2.742 -3.790 1.00 0.00 H new ATOM 105 N SER A 7 9.584 3.921 0.694 1.00 0.00 N ATOM 106 CA SER A 7 9.356 4.500 2.036 1.00 0.00 C ATOM 107 C SER A 7 9.144 5.999 1.858 1.00 0.00 C ATOM 108 O SER A 7 8.702 6.449 0.820 1.00 0.00 O ATOM 109 CB SER A 7 10.631 4.218 2.828 1.00 0.00 C ATOM 110 OG SER A 7 11.739 4.808 2.162 1.00 0.00 O ATOM 0 H SER A 7 10.557 3.730 0.453 1.00 0.00 H new ATOM 0 HA SER A 7 8.490 4.085 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.542 4.621 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.781 3.143 2.926 1.00 0.00 H new ATOM 0 HG SER A 7 11.818 4.430 1.261 1.00 0.00 H new ATOM 116 N HIS A 8 9.477 6.781 2.831 1.00 0.00 N ATOM 117 CA HIS A 8 9.313 8.253 2.669 1.00 0.00 C ATOM 118 C HIS A 8 10.696 8.899 2.580 1.00 0.00 C ATOM 119 O HIS A 8 10.836 10.054 2.230 1.00 0.00 O ATOM 120 CB HIS A 8 8.522 8.757 3.889 1.00 0.00 C ATOM 121 CG HIS A 8 8.584 7.776 5.025 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.445 7.175 5.510 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.622 7.291 5.782 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.809 6.363 6.518 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.129 6.396 6.727 1.00 0.00 N ATOM 0 H HIS A 8 9.854 6.476 3.728 1.00 0.00 H new ATOM 0 HA HIS A 8 8.772 8.510 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.923 9.717 4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.483 8.924 3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.661 7.562 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.120 5.758 7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.660 5.878 7.427 1.00 0.00 H new ATOM 133 N ASP A 9 11.723 8.141 2.866 1.00 0.00 N ATOM 134 CA ASP A 9 13.106 8.679 2.769 1.00 0.00 C ATOM 135 C ASP A 9 13.744 8.213 1.455 1.00 0.00 C ATOM 136 O ASP A 9 14.888 8.503 1.170 1.00 0.00 O ATOM 137 CB ASP A 9 13.849 8.090 3.969 1.00 0.00 C ATOM 138 CG ASP A 9 13.893 6.565 3.844 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.749 6.075 3.126 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.070 5.915 4.466 1.00 0.00 O ATOM 0 H ASP A 9 11.659 7.168 3.164 1.00 0.00 H new ATOM 0 HA ASP A 9 13.135 9.769 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.861 8.491 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.350 8.375 4.895 1.00 0.00 H new ATOM 145 N GLY A 10 13.003 7.492 0.650 1.00 0.00 N ATOM 146 CA GLY A 10 13.555 7.005 -0.647 1.00 0.00 C ATOM 147 C GLY A 10 13.748 5.486 -0.599 1.00 0.00 C ATOM 148 O GLY A 10 13.637 4.809 -1.602 1.00 0.00 O ATOM 0 H GLY A 10 12.038 7.220 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.879 7.268 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.507 7.494 -0.853 1.00 0.00 H new ATOM 152 N THR A 11 14.034 4.939 0.552 1.00 0.00 N ATOM 153 CA THR A 11 14.226 3.471 0.645 1.00 0.00 C ATOM 154 C THR A 11 13.053 2.771 -0.031 1.00 0.00 C ATOM 155 O THR A 11 11.906 3.139 0.132 1.00 0.00 O ATOM 156 CB THR A 11 14.308 3.171 2.154 1.00 0.00 C ATOM 157 OG1 THR A 11 15.595 2.651 2.453 1.00 0.00 O ATOM 158 CG2 THR A 11 13.243 2.152 2.586 1.00 0.00 C ATOM 0 H THR A 11 14.142 5.449 1.429 1.00 0.00 H new ATOM 0 HA THR A 11 15.125 3.114 0.142 1.00 0.00 H new ATOM 0 HB THR A 11 14.130 4.100 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.656 2.459 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.331 1.965 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.251 2.548 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.390 1.219 2.041 1.00 0.00 H new ATOM 166 N ARG A 12 13.345 1.780 -0.798 1.00 0.00 N ATOM 167 CA ARG A 12 12.264 1.046 -1.518 1.00 0.00 C ATOM 168 C ARG A 12 12.389 -0.476 -1.319 1.00 0.00 C ATOM 169 O ARG A 12 13.470 -0.998 -1.132 1.00 0.00 O ATOM 170 CB ARG A 12 12.480 1.399 -2.990 1.00 0.00 C ATOM 171 CG ARG A 12 11.571 2.566 -3.374 1.00 0.00 C ATOM 172 CD ARG A 12 11.762 2.899 -4.854 1.00 0.00 C ATOM 173 NE ARG A 12 12.336 4.273 -4.868 1.00 0.00 N ATOM 174 CZ ARG A 12 12.848 4.756 -5.969 1.00 0.00 C ATOM 175 NH1 ARG A 12 12.489 4.266 -7.124 1.00 0.00 N ATOM 176 NH2 ARG A 12 13.716 5.727 -5.912 1.00 0.00 N ATOM 0 H ARG A 12 14.290 1.434 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 12 11.275 1.323 -1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.523 1.665 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.264 0.534 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.530 2.308 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.803 3.438 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.432 2.186 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.815 2.861 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 12 12.330 4.837 -4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.809 3.507 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.888 4.642 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.995 6.109 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.116 6.104 -6.771 1.00 0.00 H new ATOM 190 N ARG A 13 11.292 -1.192 -1.396 1.00 0.00 N ATOM 191 CA ARG A 13 11.353 -2.682 -1.253 1.00 0.00 C ATOM 192 C ARG A 13 10.536 -3.338 -2.374 1.00 0.00 C ATOM 193 O ARG A 13 9.356 -3.096 -2.517 1.00 0.00 O ATOM 194 CB ARG A 13 10.769 -3.073 0.127 1.00 0.00 C ATOM 195 CG ARG A 13 9.894 -1.973 0.746 1.00 0.00 C ATOM 196 CD ARG A 13 10.364 -1.688 2.174 1.00 0.00 C ATOM 197 NE ARG A 13 9.243 -0.938 2.807 1.00 0.00 N ATOM 198 CZ ARG A 13 8.766 0.132 2.230 1.00 0.00 C ATOM 199 NH1 ARG A 13 9.499 0.799 1.381 1.00 0.00 N ATOM 200 NH2 ARG A 13 7.554 0.533 2.503 1.00 0.00 N ATOM 0 H ARG A 13 10.359 -0.810 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 13 12.386 -3.024 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.177 -3.982 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.588 -3.304 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.953 -1.066 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.850 -2.285 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.574 -2.612 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.283 -1.102 2.177 1.00 0.00 H new ATOM 0 HE ARG A 13 8.848 -1.260 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.446 0.485 1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.125 1.635 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.981 0.011 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.180 1.369 2.053 1.00 0.00 H new ATOM 214 N GLU A 14 11.159 -4.162 -3.175 1.00 0.00 N ATOM 215 CA GLU A 14 10.417 -4.826 -4.293 1.00 0.00 C ATOM 216 C GLU A 14 9.924 -6.206 -3.852 1.00 0.00 C ATOM 217 O GLU A 14 10.696 -7.038 -3.418 1.00 0.00 O ATOM 218 CB GLU A 14 11.430 -4.971 -5.441 1.00 0.00 C ATOM 219 CG GLU A 14 12.457 -3.831 -5.408 1.00 0.00 C ATOM 220 CD GLU A 14 11.746 -2.497 -5.173 1.00 0.00 C ATOM 221 OE1 GLU A 14 10.535 -2.463 -5.300 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.426 -1.532 -4.869 1.00 0.00 O ATOM 0 H GLU A 14 12.147 -4.405 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 14 9.545 -4.247 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.942 -5.930 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.906 -4.967 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.186 -4.009 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.008 -3.799 -6.348 1.00 0.00 H new ATOM 229 N LEU A 15 8.645 -6.460 -3.950 1.00 0.00 N ATOM 230 CA LEU A 15 8.128 -7.788 -3.523 1.00 0.00 C ATOM 231 C LEU A 15 7.677 -8.630 -4.711 1.00 0.00 C ATOM 232 O LEU A 15 7.154 -8.131 -5.688 1.00 0.00 O ATOM 233 CB LEU A 15 6.902 -7.498 -2.651 1.00 0.00 C ATOM 234 CG LEU A 15 7.278 -7.470 -1.173 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.020 -7.464 -0.314 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.045 -8.696 -0.784 1.00 0.00 C ATOM 0 H LEU A 15 7.944 -5.810 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 15 8.910 -8.341 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.466 -6.541 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.141 -8.259 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 15 7.880 -6.575 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.299 -7.444 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.424 -6.582 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.436 -8.362 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.298 -8.646 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.436 -9.581 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.960 -8.755 -1.373 1.00 0.00 H new ATOM 248 N ASP A 16 7.822 -9.918 -4.595 1.00 0.00 N ATOM 249 CA ASP A 16 7.349 -10.828 -5.665 1.00 0.00 C ATOM 250 C ASP A 16 6.054 -11.464 -5.165 1.00 0.00 C ATOM 251 O ASP A 16 6.058 -12.527 -4.575 1.00 0.00 O ATOM 252 CB ASP A 16 8.451 -11.876 -5.832 1.00 0.00 C ATOM 253 CG ASP A 16 9.775 -11.178 -6.149 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.972 -10.820 -7.299 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.570 -11.014 -5.237 1.00 0.00 O ATOM 0 H ASP A 16 8.253 -10.382 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 16 7.155 -10.334 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.548 -12.466 -4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.191 -12.568 -6.633 1.00 0.00 H new ATOM 260 N VAL A 17 4.953 -10.794 -5.350 1.00 0.00 N ATOM 261 CA VAL A 17 3.660 -11.324 -4.835 1.00 0.00 C ATOM 262 C VAL A 17 2.873 -12.020 -5.946 1.00 0.00 C ATOM 263 O VAL A 17 3.246 -11.990 -7.101 1.00 0.00 O ATOM 264 CB VAL A 17 2.922 -10.078 -4.337 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.431 -10.378 -4.193 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.488 -9.665 -2.976 1.00 0.00 C ATOM 0 H VAL A 17 4.892 -9.900 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 17 3.794 -12.071 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 17 3.058 -9.270 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.913 -9.487 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.024 -10.673 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.290 -11.188 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.965 -8.778 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.352 -10.479 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.551 -9.444 -3.076 1.00 0.00 H new ATOM 276 N ALA A 18 1.788 -12.659 -5.597 1.00 0.00 N ATOM 277 CA ALA A 18 0.981 -13.373 -6.634 1.00 0.00 C ATOM 278 C ALA A 18 -0.448 -12.825 -6.700 1.00 0.00 C ATOM 279 O ALA A 18 -0.682 -11.645 -6.542 1.00 0.00 O ATOM 280 CB ALA A 18 0.963 -14.835 -6.196 1.00 0.00 C ATOM 0 H ALA A 18 1.426 -12.718 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 18 1.410 -13.243 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.387 -15.422 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.984 -15.215 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.505 -14.914 -5.210 1.00 0.00 H new ATOM 286 N ASP A 19 -1.401 -13.686 -6.946 1.00 0.00 N ATOM 287 CA ASP A 19 -2.813 -13.250 -7.044 1.00 0.00 C ATOM 288 C ASP A 19 -3.565 -13.591 -5.755 1.00 0.00 C ATOM 289 O ASP A 19 -3.462 -14.682 -5.230 1.00 0.00 O ATOM 290 CB ASP A 19 -3.363 -14.038 -8.239 1.00 0.00 C ATOM 291 CG ASP A 19 -3.850 -15.420 -7.788 1.00 0.00 C ATOM 292 OD1 ASP A 19 -3.012 -16.273 -7.548 1.00 0.00 O ATOM 293 OD2 ASP A 19 -5.053 -15.600 -7.693 1.00 0.00 O ATOM 0 H ASP A 19 -1.252 -14.686 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.921 -12.174 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.184 -13.488 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.588 -14.148 -8.998 1.00 0.00 H new ATOM 298 N GLY A 20 -4.313 -12.661 -5.248 1.00 0.00 N ATOM 299 CA GLY A 20 -5.076 -12.910 -3.991 1.00 0.00 C ATOM 300 C GLY A 20 -4.318 -12.302 -2.810 1.00 0.00 C ATOM 301 O GLY A 20 -4.772 -12.332 -1.683 1.00 0.00 O ATOM 0 H GLY A 20 -4.433 -11.731 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.071 -12.472 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.210 -13.981 -3.839 1.00 0.00 H new ATOM 305 N VAL A 21 -3.162 -11.752 -3.061 1.00 0.00 N ATOM 306 CA VAL A 21 -2.364 -11.141 -1.963 1.00 0.00 C ATOM 307 C VAL A 21 -2.531 -9.617 -1.965 1.00 0.00 C ATOM 308 O VAL A 21 -3.094 -9.027 -2.864 1.00 0.00 O ATOM 309 CB VAL A 21 -0.906 -11.516 -2.287 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.037 -10.498 -1.697 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.567 -12.890 -1.702 1.00 0.00 C ATOM 0 H VAL A 21 -2.734 -11.700 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.676 -11.493 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.796 -11.540 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.065 -10.774 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.180 -9.515 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.091 -10.467 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.467 -13.141 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.696 -12.867 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.231 -13.641 -2.130 1.00 0.00 H new ATOM 321 N SER A 22 -2.001 -8.999 -0.958 1.00 0.00 N ATOM 322 CA SER A 22 -2.043 -7.514 -0.831 1.00 0.00 C ATOM 323 C SER A 22 -0.608 -6.982 -0.787 1.00 0.00 C ATOM 324 O SER A 22 0.338 -7.743 -0.830 1.00 0.00 O ATOM 325 CB SER A 22 -2.750 -7.238 0.503 1.00 0.00 C ATOM 326 OG SER A 22 -3.100 -8.471 1.119 1.00 0.00 O ATOM 0 H SER A 22 -1.524 -9.472 -0.190 1.00 0.00 H new ATOM 0 HA SER A 22 -2.559 -7.034 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.098 -6.663 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.643 -6.637 0.335 1.00 0.00 H new ATOM 0 HG SER A 22 -3.550 -8.295 1.972 1.00 0.00 H new ATOM 332 N LEU A 23 -0.425 -5.695 -0.692 1.00 0.00 N ATOM 333 CA LEU A 23 0.967 -5.166 -0.637 1.00 0.00 C ATOM 334 C LEU A 23 1.544 -5.395 0.753 1.00 0.00 C ATOM 335 O LEU A 23 2.732 -5.273 0.969 1.00 0.00 O ATOM 336 CB LEU A 23 0.872 -3.660 -0.922 1.00 0.00 C ATOM 337 CG LEU A 23 0.257 -3.431 -2.305 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.527 -1.993 -2.750 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.885 -4.395 -3.316 1.00 0.00 C ATOM 0 H LEU A 23 -1.166 -4.995 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 23 1.613 -5.664 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.264 -3.174 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.863 -3.209 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.818 -3.606 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.090 -1.829 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.082 -1.301 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.603 -1.823 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.445 -4.229 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.960 -4.221 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.698 -5.422 -3.004 1.00 0.00 H new ATOM 351 N MET A 24 0.709 -5.702 1.702 1.00 0.00 N ATOM 352 CA MET A 24 1.210 -5.909 3.084 1.00 0.00 C ATOM 353 C MET A 24 1.586 -7.361 3.362 1.00 0.00 C ATOM 354 O MET A 24 2.741 -7.688 3.512 1.00 0.00 O ATOM 355 CB MET A 24 0.063 -5.471 3.991 1.00 0.00 C ATOM 356 CG MET A 24 0.451 -5.711 5.448 1.00 0.00 C ATOM 357 SD MET A 24 -0.157 -7.330 5.977 1.00 0.00 S ATOM 358 CE MET A 24 -0.361 -6.919 7.718 1.00 0.00 C ATOM 0 H MET A 24 -0.297 -5.818 1.580 1.00 0.00 H new ATOM 0 HA MET A 24 2.124 -5.339 3.252 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.160 -4.416 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.842 -6.028 3.747 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.534 -5.664 5.559 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.031 -4.929 6.081 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.011 -7.739 8.332 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.199 -6.012 7.946 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.417 -6.756 7.932 1.00 0.00 H new ATOM 368 N GLN A 25 0.616 -8.216 3.468 1.00 0.00 N ATOM 369 CA GLN A 25 0.882 -9.643 3.809 1.00 0.00 C ATOM 370 C GLN A 25 2.173 -10.175 3.132 1.00 0.00 C ATOM 371 O GLN A 25 2.783 -11.104 3.624 1.00 0.00 O ATOM 372 CB GLN A 25 -0.399 -10.370 3.318 1.00 0.00 C ATOM 373 CG GLN A 25 -0.075 -11.435 2.280 1.00 0.00 C ATOM 374 CD GLN A 25 0.549 -10.748 1.084 1.00 0.00 C ATOM 375 OE1 GLN A 25 1.290 -11.359 0.339 1.00 0.00 O ATOM 376 NE2 GLN A 25 0.298 -9.470 0.868 1.00 0.00 N ATOM 0 H GLN A 25 -0.369 -7.987 3.331 1.00 0.00 H new ATOM 0 HA GLN A 25 1.068 -9.801 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.905 -10.830 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.090 -9.643 2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.610 -12.175 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.979 -11.967 1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.324 -8.959 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.726 -8.993 0.074 1.00 0.00 H new ATOM 385 N ALA A 26 2.609 -9.604 2.033 1.00 0.00 N ATOM 386 CA ALA A 26 3.862 -10.110 1.397 1.00 0.00 C ATOM 387 C ALA A 26 5.006 -9.348 2.041 1.00 0.00 C ATOM 388 O ALA A 26 5.942 -9.912 2.572 1.00 0.00 O ATOM 389 CB ALA A 26 3.770 -9.777 -0.107 1.00 0.00 C ATOM 0 H ALA A 26 2.158 -8.822 1.557 1.00 0.00 H new ATOM 0 HA ALA A 26 4.009 -11.183 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.668 -10.130 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.896 -10.267 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.681 -8.698 -0.236 1.00 0.00 H new ATOM 395 N ALA A 27 4.893 -8.052 2.028 1.00 0.00 N ATOM 396 CA ALA A 27 5.914 -7.197 2.668 1.00 0.00 C ATOM 397 C ALA A 27 5.964 -7.574 4.149 1.00 0.00 C ATOM 398 O ALA A 27 7.010 -7.785 4.728 1.00 0.00 O ATOM 399 CB ALA A 27 5.369 -5.787 2.470 1.00 0.00 C ATOM 0 H ALA A 27 4.122 -7.545 1.593 1.00 0.00 H new ATOM 0 HA ALA A 27 6.922 -7.296 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.056 -5.066 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.265 -5.583 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.395 -5.702 2.952 1.00 0.00 H new ATOM 405 N VAL A 28 4.807 -7.702 4.737 1.00 0.00 N ATOM 406 CA VAL A 28 4.702 -8.114 6.162 1.00 0.00 C ATOM 407 C VAL A 28 5.691 -9.256 6.419 1.00 0.00 C ATOM 408 O VAL A 28 6.611 -9.134 7.204 1.00 0.00 O ATOM 409 CB VAL A 28 3.230 -8.563 6.274 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.095 -10.033 6.708 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.492 -7.707 7.283 1.00 0.00 C ATOM 0 H VAL A 28 3.912 -7.534 4.278 1.00 0.00 H new ATOM 0 HA VAL A 28 4.944 -7.342 6.892 1.00 0.00 H new ATOM 0 HB VAL A 28 2.799 -8.450 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.040 -10.298 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.587 -10.675 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.563 -10.169 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.455 -8.036 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.968 -7.804 8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.522 -6.664 6.967 1.00 0.00 H new ATOM 421 N SER A 29 5.520 -10.353 5.737 1.00 0.00 N ATOM 422 CA SER A 29 6.457 -11.492 5.905 1.00 0.00 C ATOM 423 C SER A 29 7.847 -11.017 5.541 1.00 0.00 C ATOM 424 O SER A 29 8.844 -11.433 6.096 1.00 0.00 O ATOM 425 CB SER A 29 6.017 -12.524 4.891 1.00 0.00 C ATOM 426 OG SER A 29 4.869 -12.056 4.194 1.00 0.00 O ATOM 0 H SER A 29 4.767 -10.508 5.067 1.00 0.00 H new ATOM 0 HA SER A 29 6.461 -11.887 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.825 -12.723 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.791 -13.466 5.391 1.00 0.00 H new ATOM 0 HG SER A 29 5.140 -11.392 3.526 1.00 0.00 H new ATOM 432 N ASN A 30 7.894 -10.116 4.610 1.00 0.00 N ATOM 433 CA ASN A 30 9.181 -9.542 4.168 1.00 0.00 C ATOM 434 C ASN A 30 9.652 -8.517 5.202 1.00 0.00 C ATOM 435 O ASN A 30 10.588 -7.774 4.980 1.00 0.00 O ATOM 436 CB ASN A 30 8.827 -8.884 2.839 1.00 0.00 C ATOM 437 CG ASN A 30 9.289 -9.782 1.697 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.451 -9.792 1.342 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.413 -10.544 1.103 1.00 0.00 N ATOM 0 H ASN A 30 7.075 -9.746 4.127 1.00 0.00 H new ATOM 0 HA ASN A 30 9.989 -10.266 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.751 -8.720 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.304 -7.907 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.702 -11.152 0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.439 -10.532 1.405 1.00 0.00 H new ATOM 446 N GLY A 31 9.001 -8.479 6.337 1.00 0.00 N ATOM 447 CA GLY A 31 9.400 -7.509 7.401 1.00 0.00 C ATOM 448 C GLY A 31 9.256 -6.082 6.875 1.00 0.00 C ATOM 449 O GLY A 31 9.746 -5.140 7.465 1.00 0.00 O ATOM 0 H GLY A 31 8.210 -9.078 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.776 -7.646 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.430 -7.692 7.706 1.00 0.00 H new ATOM 453 N ILE A 32 8.582 -5.915 5.775 1.00 0.00 N ATOM 454 CA ILE A 32 8.397 -4.549 5.217 1.00 0.00 C ATOM 455 C ILE A 32 7.411 -3.766 6.091 1.00 0.00 C ATOM 456 O ILE A 32 7.536 -2.569 6.259 1.00 0.00 O ATOM 457 CB ILE A 32 7.843 -4.784 3.813 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.994 -5.065 2.847 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.069 -3.554 3.324 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.453 -5.111 1.416 1.00 0.00 C ATOM 0 H ILE A 32 8.150 -6.666 5.237 1.00 0.00 H new ATOM 0 HA ILE A 32 9.316 -3.964 5.190 1.00 0.00 H new ATOM 0 HB ILE A 32 7.167 -5.638 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.756 -4.290 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.472 -6.012 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.683 -3.742 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.239 -3.353 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.734 -2.691 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.271 -5.311 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.707 -5.901 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.995 -4.153 1.169 1.00 0.00 H new ATOM 472 N TYR A 33 6.432 -4.429 6.657 1.00 0.00 N ATOM 473 CA TYR A 33 5.453 -3.694 7.520 1.00 0.00 C ATOM 474 C TYR A 33 5.708 -3.936 8.999 1.00 0.00 C ATOM 475 O TYR A 33 4.808 -4.260 9.748 1.00 0.00 O ATOM 476 CB TYR A 33 4.073 -4.203 7.130 1.00 0.00 C ATOM 477 CG TYR A 33 3.714 -3.544 5.839 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.298 -2.206 5.813 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.828 -4.268 4.667 1.00 0.00 C ATOM 480 CE1 TYR A 33 2.990 -1.597 4.587 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.524 -3.675 3.449 1.00 0.00 C ATOM 482 CZ TYR A 33 3.101 -2.337 3.398 1.00 0.00 C ATOM 483 OH TYR A 33 2.801 -1.750 2.186 1.00 0.00 O ATOM 0 H TYR A 33 6.269 -5.431 6.562 1.00 0.00 H new ATOM 0 HA TYR A 33 5.546 -2.619 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.078 -5.288 7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.341 -3.964 7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.215 -1.646 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.154 -5.297 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.670 -0.566 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.613 -4.246 2.536 1.00 0.00 H new ATOM 0 HH TYR A 33 2.932 -2.401 1.466 1.00 0.00 H new ATOM 559 N CYS A 39 -2.337 -5.955 10.207 1.00 0.00 N ATOM 560 CA CYS A 39 -3.660 -5.988 9.511 1.00 0.00 C ATOM 561 C CYS A 39 -4.023 -7.430 9.148 1.00 0.00 C ATOM 562 O CYS A 39 -5.179 -7.775 9.042 1.00 0.00 O ATOM 563 CB CYS A 39 -3.550 -5.105 8.247 1.00 0.00 C ATOM 564 SG CYS A 39 -1.877 -4.410 8.019 1.00 0.00 S ATOM 0 HA CYS A 39 -4.449 -5.605 10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.816 -5.696 7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.272 -4.291 8.313 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.156 -4.660 9.072 1.00 0.00 H new ATOM 569 N GLY A 40 -3.043 -8.278 8.975 1.00 0.00 N ATOM 570 CA GLY A 40 -3.334 -9.701 8.631 1.00 0.00 C ATOM 571 C GLY A 40 -4.476 -9.770 7.614 1.00 0.00 C ATOM 572 O GLY A 40 -5.213 -10.734 7.559 1.00 0.00 O ATOM 0 H GLY A 40 -2.053 -8.046 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.442 -10.175 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.603 -10.254 9.531 1.00 0.00 H new ATOM 576 N GLY A 41 -4.630 -8.753 6.810 1.00 0.00 N ATOM 577 CA GLY A 41 -5.728 -8.764 5.800 1.00 0.00 C ATOM 578 C GLY A 41 -7.046 -8.380 6.475 1.00 0.00 C ATOM 579 O GLY A 41 -8.108 -8.817 6.079 1.00 0.00 O ATOM 0 H GLY A 41 -4.045 -7.917 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.503 -8.065 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.812 -9.753 5.350 1.00 0.00 H new ATOM 583 N SER A 42 -6.986 -7.566 7.493 1.00 0.00 N ATOM 584 CA SER A 42 -8.233 -7.153 8.196 1.00 0.00 C ATOM 585 C SER A 42 -8.424 -5.641 8.071 1.00 0.00 C ATOM 586 O SER A 42 -9.529 -5.157 7.932 1.00 0.00 O ATOM 587 CB SER A 42 -8.022 -7.552 9.656 1.00 0.00 C ATOM 588 OG SER A 42 -9.273 -7.537 10.332 1.00 0.00 O ATOM 0 H SER A 42 -6.125 -7.168 7.869 1.00 0.00 H new ATOM 0 HA SER A 42 -9.122 -7.624 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.577 -8.545 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.327 -6.863 10.137 1.00 0.00 H new ATOM 0 HG SER A 42 -9.142 -7.794 11.269 1.00 0.00 H new ATOM 594 N ALA A 43 -7.351 -4.898 8.101 1.00 0.00 N ATOM 595 CA ALA A 43 -7.449 -3.414 7.962 1.00 0.00 C ATOM 596 C ALA A 43 -8.012 -2.761 9.228 1.00 0.00 C ATOM 597 O ALA A 43 -9.030 -2.102 9.205 1.00 0.00 O ATOM 598 CB ALA A 43 -8.375 -3.182 6.778 1.00 0.00 C ATOM 0 H ALA A 43 -6.403 -5.257 8.217 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.467 -2.967 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.495 -2.111 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.947 -3.639 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.348 -3.629 6.984 1.00 0.00 H new ATOM 604 N SER A 44 -7.341 -2.929 10.323 1.00 0.00 N ATOM 605 CA SER A 44 -7.784 -2.295 11.603 1.00 0.00 C ATOM 606 C SER A 44 -6.569 -1.611 12.242 1.00 0.00 C ATOM 607 O SER A 44 -6.506 -1.405 13.438 1.00 0.00 O ATOM 608 CB SER A 44 -8.280 -3.448 12.474 1.00 0.00 C ATOM 609 OG SER A 44 -8.156 -3.088 13.844 1.00 0.00 O ATOM 0 H SER A 44 -6.490 -3.486 10.395 1.00 0.00 H new ATOM 0 HA SER A 44 -8.565 -1.546 11.469 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.320 -3.676 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.702 -4.349 12.269 1.00 0.00 H new ATOM 0 HG SER A 44 -8.007 -2.122 13.916 1.00 0.00 H new ATOM 615 N CYS A 45 -5.587 -1.309 11.438 1.00 0.00 N ATOM 616 CA CYS A 45 -4.321 -0.688 11.956 1.00 0.00 C ATOM 617 C CYS A 45 -4.154 0.756 11.466 1.00 0.00 C ATOM 618 O CYS A 45 -4.768 1.174 10.515 1.00 0.00 O ATOM 619 CB CYS A 45 -3.166 -1.582 11.451 1.00 0.00 C ATOM 620 SG CYS A 45 -3.778 -2.937 10.399 1.00 0.00 S ATOM 0 H CYS A 45 -5.602 -1.466 10.430 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.336 -0.632 13.044 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.456 -0.976 10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.627 -1.997 12.303 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.805 -3.391 9.666 1.00 0.00 H new ATOM 625 N ALA A 46 -3.327 1.531 12.116 1.00 0.00 N ATOM 626 CA ALA A 46 -3.146 2.949 11.678 1.00 0.00 C ATOM 627 C ALA A 46 -1.754 3.209 11.073 1.00 0.00 C ATOM 628 O ALA A 46 -1.466 4.308 10.647 1.00 0.00 O ATOM 629 CB ALA A 46 -3.326 3.771 12.954 1.00 0.00 C ATOM 0 H ALA A 46 -2.773 1.249 12.924 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.857 3.207 10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.209 4.830 12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.322 3.596 13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.576 3.474 13.687 1.00 0.00 H new ATOM 635 N THR A 47 -0.874 2.241 11.050 1.00 0.00 N ATOM 636 CA THR A 47 0.491 2.515 10.490 1.00 0.00 C ATOM 637 C THR A 47 0.736 1.801 9.153 1.00 0.00 C ATOM 638 O THR A 47 1.860 1.493 8.809 1.00 0.00 O ATOM 639 CB THR A 47 1.460 1.992 11.544 1.00 0.00 C ATOM 640 OG1 THR A 47 1.062 0.690 11.953 1.00 0.00 O ATOM 641 CG2 THR A 47 1.464 2.932 12.750 1.00 0.00 C ATOM 0 H THR A 47 -1.032 1.291 11.386 1.00 0.00 H new ATOM 0 HA THR A 47 0.614 3.578 10.282 1.00 0.00 H new ATOM 0 HB THR A 47 2.463 1.946 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.687 0.354 12.629 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.158 2.556 13.502 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.776 3.928 12.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.461 2.984 13.174 1.00 0.00 H new ATOM 649 N CYS A 48 -0.286 1.551 8.391 1.00 0.00 N ATOM 650 CA CYS A 48 -0.084 0.872 7.068 1.00 0.00 C ATOM 651 C CYS A 48 -0.492 1.817 5.953 1.00 0.00 C ATOM 652 O CYS A 48 -0.348 1.512 4.787 1.00 0.00 O ATOM 653 CB CYS A 48 -0.967 -0.382 7.046 1.00 0.00 C ATOM 654 SG CYS A 48 -1.906 -0.547 8.568 1.00 0.00 S ATOM 0 H CYS A 48 -1.253 1.783 8.618 1.00 0.00 H new ATOM 0 HA CYS A 48 0.961 0.597 6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.650 -0.333 6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.344 -1.265 6.903 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.146 -1.804 8.796 1.00 0.00 H new ATOM 659 N HIS A 49 -0.991 2.972 6.302 1.00 0.00 N ATOM 660 CA HIS A 49 -1.394 3.946 5.255 1.00 0.00 C ATOM 661 C HIS A 49 -0.293 3.961 4.189 1.00 0.00 C ATOM 662 O HIS A 49 0.870 4.111 4.506 1.00 0.00 O ATOM 663 CB HIS A 49 -1.475 5.283 5.997 1.00 0.00 C ATOM 664 CG HIS A 49 -1.916 6.377 5.066 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.593 7.499 5.519 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.778 6.548 3.712 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.830 8.287 4.456 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.354 7.753 3.330 1.00 0.00 N ATOM 0 H HIS A 49 -1.136 3.280 7.264 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.337 3.717 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.174 5.202 6.829 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.502 5.529 6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.294 5.851 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.343 9.236 4.507 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.403 8.145 2.390 1.00 0.00 H new ATOM 676 N VAL A 50 -0.622 3.785 2.941 1.00 0.00 N ATOM 677 CA VAL A 50 0.448 3.770 1.917 1.00 0.00 C ATOM 678 C VAL A 50 0.003 4.520 0.688 1.00 0.00 C ATOM 679 O VAL A 50 -1.169 4.748 0.467 1.00 0.00 O ATOM 680 CB VAL A 50 0.690 2.304 1.575 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.323 1.600 2.771 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.637 1.638 1.220 1.00 0.00 C ATOM 0 H VAL A 50 -1.572 3.653 2.593 1.00 0.00 H new ATOM 0 HA VAL A 50 1.355 4.249 2.285 1.00 0.00 H new ATOM 0 HB VAL A 50 1.364 2.234 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.496 0.552 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.272 2.078 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.654 1.667 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.464 0.590 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.317 1.705 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.079 2.143 0.361 1.00 0.00 H new ATOM 692 N TYR A 51 0.940 4.901 -0.107 1.00 0.00 N ATOM 693 CA TYR A 51 0.621 5.655 -1.336 1.00 0.00 C ATOM 694 C TYR A 51 1.033 4.860 -2.568 1.00 0.00 C ATOM 695 O TYR A 51 2.182 4.509 -2.746 1.00 0.00 O ATOM 696 CB TYR A 51 1.444 6.932 -1.200 1.00 0.00 C ATOM 697 CG TYR A 51 0.700 7.958 -0.361 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.584 7.673 0.151 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.271 9.225 -0.142 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.277 8.641 0.877 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.565 10.198 0.578 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.708 9.903 1.087 1.00 0.00 C ATOM 703 OH TYR A 51 -1.404 10.860 1.794 1.00 0.00 O ATOM 0 H TYR A 51 1.933 4.721 0.041 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.444 5.858 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.405 6.705 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.653 7.344 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.030 6.704 -0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.254 9.448 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.254 8.417 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.000 11.173 0.741 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.937 11.051 2.634 1.00 0.00 H new ATOM 713 N VAL A 52 0.100 4.585 -3.427 1.00 0.00 N ATOM 714 CA VAL A 52 0.436 3.823 -4.664 1.00 0.00 C ATOM 715 C VAL A 52 0.784 4.833 -5.774 1.00 0.00 C ATOM 716 O VAL A 52 0.618 6.024 -5.599 1.00 0.00 O ATOM 717 CB VAL A 52 -0.826 3.016 -5.018 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.507 1.992 -6.122 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.318 2.270 -3.774 1.00 0.00 C ATOM 0 H VAL A 52 -0.880 4.852 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 52 1.288 3.155 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.596 3.701 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.407 1.427 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.155 2.514 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.267 1.309 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.212 1.698 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.539 1.592 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.554 2.988 -2.989 1.00 0.00 H new ATOM 729 N ASN A 53 1.257 4.390 -6.909 1.00 0.00 N ATOM 730 CA ASN A 53 1.596 5.361 -8.002 1.00 0.00 C ATOM 731 C ASN A 53 0.302 5.847 -8.664 1.00 0.00 C ATOM 732 O ASN A 53 -0.716 5.958 -8.024 1.00 0.00 O ATOM 733 CB ASN A 53 2.440 4.562 -8.994 1.00 0.00 C ATOM 734 CG ASN A 53 1.702 3.282 -9.325 1.00 0.00 C ATOM 735 OD1 ASN A 53 0.802 3.285 -10.143 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.022 2.191 -8.696 1.00 0.00 N ATOM 0 H ASN A 53 1.424 3.408 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 53 2.129 6.239 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.615 5.144 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.417 4.337 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.517 1.326 -8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.779 2.200 -8.012 1.00 0.00 H new ATOM 743 N GLU A 54 0.332 6.151 -9.932 1.00 0.00 N ATOM 744 CA GLU A 54 -0.909 6.623 -10.611 1.00 0.00 C ATOM 745 C GLU A 54 -1.544 5.508 -11.462 1.00 0.00 C ATOM 746 O GLU A 54 -2.673 5.622 -11.895 1.00 0.00 O ATOM 747 CB GLU A 54 -0.455 7.780 -11.502 1.00 0.00 C ATOM 748 CG GLU A 54 0.455 7.245 -12.609 1.00 0.00 C ATOM 749 CD GLU A 54 1.758 8.045 -12.631 1.00 0.00 C ATOM 750 OE1 GLU A 54 1.681 9.263 -12.667 1.00 0.00 O ATOM 751 OE2 GLU A 54 2.811 7.429 -12.612 1.00 0.00 O ATOM 0 H GLU A 54 1.159 6.094 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.669 6.924 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.321 8.279 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.076 8.524 -10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.667 6.189 -12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.046 7.320 -13.574 1.00 0.00 H new ATOM 758 N ALA A 55 -0.815 4.459 -11.754 1.00 0.00 N ATOM 759 CA ALA A 55 -1.379 3.383 -12.634 1.00 0.00 C ATOM 760 C ALA A 55 -1.884 2.150 -11.863 1.00 0.00 C ATOM 761 O ALA A 55 -2.850 1.529 -12.261 1.00 0.00 O ATOM 762 CB ALA A 55 -0.216 2.987 -13.543 1.00 0.00 C ATOM 0 H ALA A 55 0.138 4.300 -11.426 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.254 3.754 -13.167 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.539 2.200 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.108 3.855 -14.118 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.613 2.623 -12.936 1.00 0.00 H new ATOM 768 N PHE A 56 -1.240 1.756 -10.799 1.00 0.00 N ATOM 769 CA PHE A 56 -1.705 0.527 -10.076 1.00 0.00 C ATOM 770 C PHE A 56 -2.832 0.846 -9.088 1.00 0.00 C ATOM 771 O PHE A 56 -3.493 -0.042 -8.594 1.00 0.00 O ATOM 772 CB PHE A 56 -0.476 0.012 -9.321 1.00 0.00 C ATOM 773 CG PHE A 56 0.568 -0.495 -10.311 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.389 0.436 -10.971 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.725 -1.876 -10.596 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.340 0.009 -11.901 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.681 -2.283 -11.517 1.00 0.00 C ATOM 778 CZ PHE A 56 2.485 -1.349 -12.174 1.00 0.00 C ATOM 0 H PHE A 56 -0.424 2.220 -10.400 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.106 -0.208 -10.773 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.053 0.810 -8.710 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.765 -0.790 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.284 1.489 -10.757 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.104 -2.607 -10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.962 0.732 -12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.804 -3.335 -11.728 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.219 -1.680 -12.894 1.00 0.00 H new ATOM 788 N THR A 57 -3.066 2.094 -8.792 1.00 0.00 N ATOM 789 CA THR A 57 -4.169 2.423 -7.827 1.00 0.00 C ATOM 790 C THR A 57 -5.517 2.396 -8.551 1.00 0.00 C ATOM 791 O THR A 57 -6.547 2.136 -7.960 1.00 0.00 O ATOM 792 CB THR A 57 -3.900 3.840 -7.286 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.723 4.769 -7.976 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.435 4.228 -7.477 1.00 0.00 C ATOM 0 H THR A 57 -2.554 2.893 -9.166 1.00 0.00 H new ATOM 0 HA THR A 57 -4.199 1.697 -7.015 1.00 0.00 H new ATOM 0 HB THR A 57 -4.127 3.853 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.175 5.516 -8.297 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.271 5.233 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.799 3.523 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.188 4.206 -8.538 1.00 0.00 H new ATOM 802 N ASP A 58 -5.517 2.663 -9.831 1.00 0.00 N ATOM 803 CA ASP A 58 -6.808 2.650 -10.595 1.00 0.00 C ATOM 804 C ASP A 58 -7.061 1.244 -11.133 1.00 0.00 C ATOM 805 O ASP A 58 -8.186 0.852 -11.371 1.00 0.00 O ATOM 806 CB ASP A 58 -6.690 3.657 -11.764 1.00 0.00 C ATOM 807 CG ASP A 58 -5.321 4.348 -11.791 1.00 0.00 C ATOM 808 OD1 ASP A 58 -5.162 5.333 -11.089 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.456 3.879 -12.514 1.00 0.00 O ATOM 0 H ASP A 58 -4.688 2.888 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.640 2.932 -9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.852 3.137 -12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.474 4.409 -11.675 1.00 0.00 H new ATOM 814 N LYS A 59 -6.024 0.475 -11.306 1.00 0.00 N ATOM 815 CA LYS A 59 -6.205 -0.915 -11.804 1.00 0.00 C ATOM 816 C LYS A 59 -6.644 -1.798 -10.639 1.00 0.00 C ATOM 817 O LYS A 59 -7.637 -2.494 -10.707 1.00 0.00 O ATOM 818 CB LYS A 59 -4.827 -1.334 -12.310 1.00 0.00 C ATOM 819 CG LYS A 59 -4.450 -0.491 -13.530 1.00 0.00 C ATOM 820 CD LYS A 59 -5.480 -0.710 -14.639 1.00 0.00 C ATOM 821 CE LYS A 59 -4.775 -0.708 -15.998 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.895 0.692 -16.491 1.00 0.00 N ATOM 0 H LYS A 59 -5.059 0.749 -11.124 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.958 -0.998 -12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.085 -1.205 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.831 -2.392 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.411 0.564 -13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.456 -0.766 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.998 -1.657 -14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.236 0.075 -14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.731 -1.004 -15.901 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.243 -1.411 -16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.435 0.774 -17.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.900 0.944 -16.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.434 1.338 -15.818 1.00 0.00 H new ATOM 836 N VAL A 60 -5.911 -1.756 -9.561 1.00 0.00 N ATOM 837 CA VAL A 60 -6.270 -2.562 -8.373 1.00 0.00 C ATOM 838 C VAL A 60 -7.780 -2.500 -8.134 1.00 0.00 C ATOM 839 O VAL A 60 -8.465 -1.670 -8.697 1.00 0.00 O ATOM 840 CB VAL A 60 -5.516 -1.889 -7.226 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.024 -2.197 -7.339 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.735 -0.371 -7.276 1.00 0.00 C ATOM 0 H VAL A 60 -5.070 -1.189 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.012 -3.616 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.893 -2.273 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.490 -1.716 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.870 -3.275 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.646 -1.821 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.195 0.102 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.367 0.019 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.799 -0.154 -7.183 1.00 0.00 H new ATOM 852 N PRO A 61 -8.245 -3.382 -7.297 1.00 0.00 N ATOM 853 CA PRO A 61 -9.690 -3.434 -6.967 1.00 0.00 C ATOM 854 C PRO A 61 -10.133 -2.191 -6.215 1.00 0.00 C ATOM 855 O PRO A 61 -9.342 -1.415 -5.718 1.00 0.00 O ATOM 856 CB PRO A 61 -9.821 -4.677 -6.097 1.00 0.00 C ATOM 857 CG PRO A 61 -8.455 -4.888 -5.530 1.00 0.00 C ATOM 858 CD PRO A 61 -7.483 -4.407 -6.576 1.00 0.00 C ATOM 0 HA PRO A 61 -10.319 -3.473 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.559 -4.532 -5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.144 -5.538 -6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.331 -4.334 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.288 -5.940 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.579 -3.995 -6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.170 -5.215 -7.237 1.00 0.00 H new ATOM 866 N ALA A 62 -11.410 -2.014 -6.150 1.00 0.00 N ATOM 867 CA ALA A 62 -11.988 -0.840 -5.461 1.00 0.00 C ATOM 868 C ALA A 62 -12.020 -1.075 -3.952 1.00 0.00 C ATOM 869 O ALA A 62 -12.717 -1.940 -3.460 1.00 0.00 O ATOM 870 CB ALA A 62 -13.393 -0.753 -6.038 1.00 0.00 C ATOM 0 H ALA A 62 -12.097 -2.649 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.418 0.077 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.918 0.092 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.335 -0.615 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.934 -1.673 -5.818 1.00 0.00 H new ATOM 876 N ALA A 63 -11.263 -0.315 -3.216 1.00 0.00 N ATOM 877 CA ALA A 63 -11.236 -0.497 -1.737 1.00 0.00 C ATOM 878 C ALA A 63 -12.570 -0.067 -1.108 1.00 0.00 C ATOM 879 O ALA A 63 -13.372 0.605 -1.726 1.00 0.00 O ATOM 880 CB ALA A 63 -10.110 0.414 -1.271 1.00 0.00 C ATOM 0 H ALA A 63 -10.660 0.426 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.084 -1.537 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.013 0.348 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.175 0.105 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.334 1.443 -1.553 1.00 0.00 H new ATOM 886 N ASN A 64 -12.816 -0.465 0.116 1.00 0.00 N ATOM 887 CA ASN A 64 -14.102 -0.099 0.787 1.00 0.00 C ATOM 888 C ASN A 64 -13.914 1.082 1.747 1.00 0.00 C ATOM 889 O ASN A 64 -13.121 1.970 1.513 1.00 0.00 O ATOM 890 CB ASN A 64 -14.507 -1.347 1.570 1.00 0.00 C ATOM 891 CG ASN A 64 -13.570 -1.525 2.766 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.592 -0.815 2.897 1.00 0.00 O ATOM 893 ND2 ASN A 64 -13.827 -2.450 3.649 1.00 0.00 N ATOM 0 H ASN A 64 -12.180 -1.029 0.680 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.856 0.207 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.538 -1.256 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.462 -2.225 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.207 -2.577 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.648 -3.046 3.539 1.00 0.00 H new ATOM 900 N GLU A 65 -14.653 1.089 2.827 1.00 0.00 N ATOM 901 CA GLU A 65 -14.543 2.201 3.817 1.00 0.00 C ATOM 902 C GLU A 65 -13.233 2.094 4.602 1.00 0.00 C ATOM 903 O GLU A 65 -12.689 3.083 5.054 1.00 0.00 O ATOM 904 CB GLU A 65 -15.745 2.017 4.745 1.00 0.00 C ATOM 905 CG GLU A 65 -15.490 0.841 5.691 1.00 0.00 C ATOM 906 CD GLU A 65 -16.817 0.157 6.025 1.00 0.00 C ATOM 907 OE1 GLU A 65 -17.672 0.814 6.597 1.00 0.00 O ATOM 908 OE2 GLU A 65 -16.957 -1.011 5.702 1.00 0.00 O ATOM 0 H GLU A 65 -15.332 0.367 3.066 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.539 3.181 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -15.916 2.928 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.646 1.836 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -14.808 0.128 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.010 1.193 6.604 1.00 0.00 H new ATOM 915 N ARG A 66 -12.709 0.908 4.757 1.00 0.00 N ATOM 916 CA ARG A 66 -11.424 0.762 5.501 1.00 0.00 C ATOM 917 C ARG A 66 -10.328 1.480 4.720 1.00 0.00 C ATOM 918 O ARG A 66 -9.560 2.249 5.254 1.00 0.00 O ATOM 919 CB ARG A 66 -11.133 -0.750 5.534 1.00 0.00 C ATOM 920 CG ARG A 66 -10.958 -1.304 6.971 1.00 0.00 C ATOM 921 CD ARG A 66 -11.520 -0.364 8.044 1.00 0.00 C ATOM 922 NE ARG A 66 -12.904 -0.040 7.598 1.00 0.00 N ATOM 923 CZ ARG A 66 -13.745 0.510 8.430 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.609 1.765 8.762 1.00 0.00 N ATOM 925 NH2 ARG A 66 -14.723 -0.195 8.930 1.00 0.00 N ATOM 0 H ARG A 66 -13.111 0.040 4.404 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.471 1.182 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.948 -1.282 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.229 -0.953 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.455 -2.271 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.899 -1.475 7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.524 -0.843 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.914 0.538 8.133 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.194 -0.248 6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.845 2.316 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.267 2.195 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.830 -1.176 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.381 0.235 9.581 1.00 0.00 H new ATOM 939 N GLU A 67 -10.258 1.263 3.451 1.00 0.00 N ATOM 940 CA GLU A 67 -9.214 1.950 2.671 1.00 0.00 C ATOM 941 C GLU A 67 -9.372 3.459 2.836 1.00 0.00 C ATOM 942 O GLU A 67 -8.480 4.216 2.542 1.00 0.00 O ATOM 943 CB GLU A 67 -9.489 1.525 1.242 1.00 0.00 C ATOM 944 CG GLU A 67 -8.570 2.287 0.300 1.00 0.00 C ATOM 945 CD GLU A 67 -9.284 3.534 -0.222 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.262 3.379 -0.936 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.842 4.625 0.099 1.00 0.00 O ATOM 0 H GLU A 67 -10.873 0.645 2.922 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.199 1.703 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.330 0.452 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.531 1.720 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.655 2.571 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.277 1.648 -0.533 1.00 0.00 H new ATOM 954 N ILE A 68 -10.501 3.900 3.312 1.00 0.00 N ATOM 955 CA ILE A 68 -10.700 5.360 3.513 1.00 0.00 C ATOM 956 C ILE A 68 -10.301 5.765 4.944 1.00 0.00 C ATOM 957 O ILE A 68 -9.332 6.467 5.152 1.00 0.00 O ATOM 958 CB ILE A 68 -12.194 5.591 3.249 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.428 5.764 1.744 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.676 6.847 3.977 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.636 4.708 0.969 1.00 0.00 C ATOM 0 H ILE A 68 -11.294 3.313 3.570 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.082 5.965 2.850 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.751 4.729 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.491 5.672 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.122 6.762 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.737 6.997 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.519 6.729 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.115 7.711 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.807 4.837 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.573 4.821 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.963 3.713 1.271 1.00 0.00 H new ATOM 973 N GLY A 69 -11.051 5.335 5.930 1.00 0.00 N ATOM 974 CA GLY A 69 -10.723 5.704 7.342 1.00 0.00 C ATOM 975 C GLY A 69 -9.556 4.853 7.848 1.00 0.00 C ATOM 976 O GLY A 69 -8.592 5.364 8.382 1.00 0.00 O ATOM 0 H GLY A 69 -11.875 4.745 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.465 6.761 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.596 5.554 7.978 1.00 0.00 H new ATOM 980 N MET A 70 -9.623 3.562 7.671 1.00 0.00 N ATOM 981 CA MET A 70 -8.501 2.692 8.131 1.00 0.00 C ATOM 982 C MET A 70 -7.196 3.288 7.623 1.00 0.00 C ATOM 983 O MET A 70 -6.184 3.332 8.292 1.00 0.00 O ATOM 984 CB MET A 70 -8.730 1.359 7.412 1.00 0.00 C ATOM 985 CG MET A 70 -8.473 0.161 8.320 1.00 0.00 C ATOM 986 SD MET A 70 -7.129 0.512 9.463 1.00 0.00 S ATOM 987 CE MET A 70 -5.889 0.768 8.181 1.00 0.00 C ATOM 0 H MET A 70 -10.402 3.073 7.230 1.00 0.00 H new ATOM 0 HA MET A 70 -8.458 2.590 9.215 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.755 1.319 7.043 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.075 1.300 6.543 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.378 -0.081 8.877 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.226 -0.713 7.717 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.185 1.535 8.504 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.354 -0.164 8.001 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.378 1.089 7.261 1.00 0.00 H new ATOM 997 N LEU A 71 -7.258 3.727 6.412 1.00 0.00 N ATOM 998 CA LEU A 71 -6.097 4.331 5.715 1.00 0.00 C ATOM 999 C LEU A 71 -5.886 5.765 6.209 1.00 0.00 C ATOM 1000 O LEU A 71 -4.778 6.261 6.256 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.608 4.262 4.285 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.579 4.677 3.220 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.310 5.413 2.094 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.517 5.611 3.782 1.00 0.00 C ATOM 0 H LEU A 71 -8.106 3.692 5.846 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.128 3.853 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.935 3.243 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.485 4.903 4.194 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.087 3.773 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.593 5.714 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.055 4.752 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.803 6.297 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.813 5.877 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.992 6.514 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.984 5.111 4.591 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.942 6.428 6.597 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.797 7.820 7.105 1.00 0.00 C ATOM 1018 C GLU A 72 -6.482 7.797 8.603 1.00 0.00 C ATOM 1019 O GLU A 72 -6.491 8.815 9.267 1.00 0.00 O ATOM 1020 CB GLU A 72 -8.148 8.491 6.847 1.00 0.00 C ATOM 1021 CG GLU A 72 -8.261 9.762 7.693 1.00 0.00 C ATOM 1022 CD GLU A 72 -9.079 10.810 6.936 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.067 10.433 6.328 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -8.703 11.969 6.977 1.00 0.00 O ATOM 0 H GLU A 72 -7.896 6.066 6.584 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.985 8.356 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.248 8.736 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.959 7.805 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.736 9.535 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.268 10.152 7.916 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.189 6.650 9.149 1.00 0.00 N ATOM 1032 CA CYS A 73 -5.867 6.606 10.601 1.00 0.00 C ATOM 1033 C CYS A 73 -4.839 7.695 10.890 1.00 0.00 C ATOM 1034 O CYS A 73 -5.032 8.538 11.744 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.275 5.218 10.843 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.609 3.998 10.921 1.00 0.00 S ATOM 0 H CYS A 73 -6.159 5.755 8.661 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.731 6.774 11.243 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.581 4.963 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.706 5.211 11.773 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.494 3.166 9.929 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.764 7.701 10.157 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.736 8.756 10.353 1.00 0.00 C ATOM 1044 C VAL A 74 -3.044 9.943 9.440 1.00 0.00 C ATOM 1045 O VAL A 74 -3.020 9.827 8.230 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.403 8.120 9.960 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.183 6.847 10.778 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -1.413 7.775 8.467 1.00 0.00 C ATOM 0 H VAL A 74 -3.552 7.019 9.429 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.714 9.120 11.380 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.596 8.825 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.232 6.394 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.168 7.095 11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.992 6.144 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.461 7.322 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.221 7.074 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.564 8.684 7.885 1.00 0.00 H new ATOM 1058 N THR A 75 -3.329 11.082 10.001 1.00 0.00 N ATOM 1059 CA THR A 75 -3.633 12.264 9.152 1.00 0.00 C ATOM 1060 C THR A 75 -2.554 12.398 8.070 1.00 0.00 C ATOM 1061 O THR A 75 -1.482 12.911 8.304 1.00 0.00 O ATOM 1062 CB THR A 75 -3.621 13.454 10.135 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.958 13.857 10.393 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.838 14.645 9.559 1.00 0.00 C ATOM 0 H THR A 75 -3.365 11.246 11.007 1.00 0.00 H new ATOM 0 HA THR A 75 -4.587 12.198 8.629 1.00 0.00 H new ATOM 0 HB THR A 75 -3.133 13.135 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.957 14.612 11.018 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.848 15.467 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.808 14.344 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.302 14.969 8.628 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.833 11.929 6.889 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.829 12.024 5.794 1.00 0.00 C ATOM 1074 C ALA A 76 -2.468 12.658 4.556 1.00 0.00 C ATOM 1075 O ALA A 76 -2.205 12.254 3.443 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.418 10.580 5.505 1.00 0.00 C ATOM 0 H ALA A 76 -3.714 11.483 6.633 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.973 12.642 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.677 10.566 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.991 10.136 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.293 10.007 5.199 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.310 13.641 4.748 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.979 14.303 3.586 1.00 0.00 C ATOM 1084 C GLU A 77 -4.358 13.262 2.539 1.00 0.00 C ATOM 1085 O GLU A 77 -3.913 13.303 1.410 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.966 15.312 3.034 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.689 14.594 2.597 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.812 15.554 1.792 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -1.365 16.415 1.129 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.399 15.412 1.852 1.00 0.00 O ATOM 0 H GLU A 77 -3.564 14.015 5.662 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.902 14.805 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.399 15.847 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.731 16.056 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.145 14.234 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.939 13.721 1.994 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.183 12.332 2.931 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.640 11.250 2.012 1.00 0.00 C ATOM 1099 C LEU A 78 -5.635 11.702 0.550 1.00 0.00 C ATOM 1100 O LEU A 78 -6.326 12.625 0.169 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.060 10.964 2.473 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.289 9.454 2.489 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.921 8.893 3.863 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.759 9.162 2.196 1.00 0.00 C ATOM 0 H LEU A 78 -5.569 12.275 3.873 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.986 10.378 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.223 11.379 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.775 11.445 1.806 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.665 8.984 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.085 7.815 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.872 9.102 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.543 9.361 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.925 8.085 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.382 9.633 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.020 9.560 1.215 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.865 11.043 -0.270 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.812 11.409 -1.716 1.00 0.00 C ATOM 1118 C LYS A 79 -5.951 10.695 -2.449 1.00 0.00 C ATOM 1119 O LYS A 79 -6.827 10.138 -1.817 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.462 10.893 -2.196 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.408 11.174 -1.136 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.048 11.168 -1.803 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.390 12.524 -1.598 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.649 12.911 -0.180 1.00 0.00 N ATOM 0 H LYS A 79 -4.266 10.262 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.921 12.479 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.519 9.823 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.188 11.376 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.594 12.138 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.449 10.419 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.425 10.380 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.152 10.957 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.681 12.470 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.804 13.264 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.141 13.489 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.531 13.460 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.738 12.054 0.403 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.904 10.705 -3.755 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.943 10.016 -4.537 1.00 0.00 C ATOM 1140 C PRO A 80 -6.597 8.532 -4.631 1.00 0.00 C ATOM 1141 O PRO A 80 -7.460 7.684 -4.736 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.869 10.687 -5.902 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.481 11.238 -6.010 1.00 0.00 C ATOM 1144 CD PRO A 80 -4.904 11.338 -4.617 1.00 0.00 C ATOM 0 HA PRO A 80 -7.941 10.080 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.069 9.973 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.612 11.479 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.862 10.591 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.497 12.218 -6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.943 10.829 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.735 12.376 -4.332 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.330 8.218 -4.590 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.915 6.790 -4.674 1.00 0.00 C ATOM 1154 C ASN A 81 -4.448 6.268 -3.307 1.00 0.00 C ATOM 1155 O ASN A 81 -4.200 5.089 -3.149 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.762 6.762 -5.672 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.640 7.681 -5.192 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.814 8.437 -4.257 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.487 7.648 -5.800 1.00 0.00 N ATOM 0 H ASN A 81 -4.566 8.888 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.744 6.153 -4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.389 5.744 -5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.111 7.081 -6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.730 8.257 -5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.342 7.013 -6.585 1.00 0.00 H new ATOM 1166 N SER A 82 -4.325 7.114 -2.313 1.00 0.00 N ATOM 1167 CA SER A 82 -3.873 6.606 -0.982 1.00 0.00 C ATOM 1168 C SER A 82 -4.671 5.365 -0.597 1.00 0.00 C ATOM 1169 O SER A 82 -5.886 5.367 -0.618 1.00 0.00 O ATOM 1170 CB SER A 82 -4.207 7.721 -0.004 1.00 0.00 C ATOM 1171 OG SER A 82 -3.702 8.938 -0.505 1.00 0.00 O ATOM 0 H SER A 82 -4.514 8.115 -2.363 1.00 0.00 H new ATOM 0 HA SER A 82 -2.815 6.343 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.286 7.790 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.773 7.507 0.973 1.00 0.00 H new ATOM 0 HG SER A 82 -2.730 8.872 -0.606 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.006 4.305 -0.233 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.752 3.083 0.160 1.00 0.00 C ATOM 1179 C ARG A 83 -4.063 2.378 1.327 1.00 0.00 C ATOM 1180 O ARG A 83 -2.928 2.649 1.660 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.791 2.191 -1.086 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.253 1.945 -1.472 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.395 1.745 -2.985 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.763 0.310 -3.154 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.914 -0.013 -3.675 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.468 0.760 -4.568 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.511 -1.113 -3.304 1.00 0.00 N ATOM 0 H ARG A 83 -2.989 4.233 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.759 3.322 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.259 2.669 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.289 1.244 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.628 1.066 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.864 2.790 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.162 2.400 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.464 1.977 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.113 -0.420 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.001 1.619 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.368 0.506 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.077 -1.719 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.411 -1.367 -3.711 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.772 1.492 1.964 1.00 0.00 N ATOM 1202 CA LEU A 84 -4.219 0.756 3.136 1.00 0.00 C ATOM 1203 C LEU A 84 -3.220 -0.319 2.715 1.00 0.00 C ATOM 1204 O LEU A 84 -3.475 -1.093 1.813 1.00 0.00 O ATOM 1205 CB LEU A 84 -5.435 0.053 3.751 1.00 0.00 C ATOM 1206 CG LEU A 84 -5.576 0.394 5.222 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -6.493 -0.681 5.851 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -4.177 0.389 5.871 1.00 0.00 C ATOM 0 H LEU A 84 -5.730 1.241 1.718 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.700 1.437 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.338 0.349 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.334 -1.026 3.633 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.012 1.381 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.622 -0.473 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.465 -0.664 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.040 -1.664 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.266 0.633 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.729 -0.599 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.545 1.129 5.380 1.00 0.00 H new ATOM 1220 N SER A 85 -2.114 -0.432 3.411 1.00 0.00 N ATOM 1221 CA SER A 85 -1.172 -1.529 3.074 1.00 0.00 C ATOM 1222 C SER A 85 -1.967 -2.834 3.164 1.00 0.00 C ATOM 1223 O SER A 85 -1.625 -3.842 2.578 1.00 0.00 O ATOM 1224 CB SER A 85 -0.082 -1.510 4.133 1.00 0.00 C ATOM 1225 OG SER A 85 -0.438 -2.393 5.189 1.00 0.00 O ATOM 0 H SER A 85 -1.832 0.176 4.180 1.00 0.00 H new ATOM 0 HA SER A 85 -0.731 -1.427 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.870 -1.812 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.050 -0.499 4.518 1.00 0.00 H new ATOM 0 HG SER A 85 0.363 -2.631 5.701 1.00 0.00 H new ATOM 1231 N CYS A 86 -3.044 -2.795 3.917 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.905 -4.003 4.097 1.00 0.00 C ATOM 1233 C CYS A 86 -5.231 -3.864 3.329 1.00 0.00 C ATOM 1234 O CYS A 86 -6.237 -4.427 3.713 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.145 -4.127 5.624 1.00 0.00 C ATOM 1236 SG CYS A 86 -4.291 -2.523 6.450 1.00 0.00 S ATOM 0 H CYS A 86 -3.363 -1.966 4.419 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.424 -4.897 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.054 -4.703 5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.323 -4.686 6.071 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.407 -2.442 7.400 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.245 -3.128 2.239 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.514 -2.979 1.456 1.00 0.00 C ATOM 1243 C GLN A 87 -6.329 -3.350 -0.015 1.00 0.00 C ATOM 1244 O GLN A 87 -7.182 -3.971 -0.616 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.918 -1.504 1.567 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.898 -1.283 2.731 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.944 -2.399 2.784 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -10.008 -2.281 2.210 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.678 -3.484 3.458 1.00 0.00 N ATOM 0 H GLN A 87 -4.439 -2.629 1.862 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.276 -3.649 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.029 -0.891 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.378 -1.179 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.349 -1.249 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.394 -0.319 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.783 -3.579 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.365 -4.237 3.504 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.244 -2.959 -0.612 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.059 -3.286 -2.060 1.00 0.00 C ATOM 1260 C ILE A 88 -4.587 -4.725 -2.231 1.00 0.00 C ATOM 1261 O ILE A 88 -3.844 -5.256 -1.430 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.998 -2.340 -2.642 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.865 -1.054 -1.812 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.397 -1.974 -4.074 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.076 -0.003 -2.611 1.00 0.00 C ATOM 0 H ILE A 88 -4.485 -2.436 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.011 -3.167 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.036 -2.852 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.853 -0.668 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.357 -1.267 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.651 -1.302 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.456 -2.879 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.368 -1.479 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.983 0.908 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.083 -0.390 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.602 0.219 -3.540 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.010 -5.344 -3.288 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.598 -6.741 -3.566 1.00 0.00 C ATOM 1279 C ILE A 89 -3.677 -6.762 -4.786 1.00 0.00 C ATOM 1280 O ILE A 89 -3.675 -5.848 -5.586 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.903 -7.482 -3.855 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.660 -7.730 -2.545 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.588 -8.816 -4.525 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.702 -8.285 -1.488 1.00 0.00 C ATOM 0 H ILE A 89 -5.634 -4.935 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.052 -7.199 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.524 -6.878 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.107 -6.801 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.476 -8.432 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.517 -9.347 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.056 -8.637 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.966 -9.418 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.246 -8.459 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.276 -9.224 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.901 -7.567 -1.310 1.00 0.00 H new ATOM 1296 N MET A 90 -2.892 -7.788 -4.937 1.00 0.00 N ATOM 1297 CA MET A 90 -1.977 -7.846 -6.109 1.00 0.00 C ATOM 1298 C MET A 90 -2.431 -8.927 -7.089 1.00 0.00 C ATOM 1299 O MET A 90 -2.404 -10.103 -6.787 1.00 0.00 O ATOM 1300 CB MET A 90 -0.610 -8.191 -5.528 1.00 0.00 C ATOM 1301 CG MET A 90 0.481 -7.502 -6.347 1.00 0.00 C ATOM 1302 SD MET A 90 0.255 -5.708 -6.266 1.00 0.00 S ATOM 1303 CE MET A 90 0.066 -5.430 -8.044 1.00 0.00 C ATOM 0 H MET A 90 -2.843 -8.586 -4.304 1.00 0.00 H new ATOM 0 HA MET A 90 -1.961 -6.907 -6.662 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.554 -7.872 -4.487 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.460 -9.271 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.465 -7.773 -5.963 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.440 -7.838 -7.383 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.263 -4.406 -8.219 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.022 -5.595 -8.542 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.675 -6.122 -8.444 1.00 0.00 H new ATOM 1313 N THR A 91 -2.839 -8.539 -8.262 1.00 0.00 N ATOM 1314 CA THR A 91 -3.282 -9.549 -9.262 1.00 0.00 C ATOM 1315 C THR A 91 -2.121 -9.889 -10.200 1.00 0.00 C ATOM 1316 O THR A 91 -1.124 -9.195 -10.228 1.00 0.00 O ATOM 1317 CB THR A 91 -4.426 -8.877 -10.021 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.296 -7.468 -9.914 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.760 -9.310 -9.413 1.00 0.00 C ATOM 0 H THR A 91 -2.885 -7.569 -8.573 1.00 0.00 H new ATOM 0 HA THR A 91 -3.603 -10.485 -8.805 1.00 0.00 H new ATOM 0 HB THR A 91 -4.391 -9.169 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.018 -7.034 -10.414 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.578 -8.832 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.860 -10.393 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.795 -9.014 -8.365 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.283 -10.956 -10.930 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.225 -11.402 -11.871 1.00 0.00 C ATOM 1329 C PRO A 92 -1.113 -10.446 -13.063 1.00 0.00 C ATOM 1330 O PRO A 92 -0.050 -10.272 -13.627 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.691 -12.789 -12.303 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.171 -12.789 -12.091 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.454 -11.837 -10.956 1.00 0.00 C ATOM 0 HA PRO A 92 -0.232 -11.418 -11.422 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.443 -12.980 -13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.209 -13.568 -11.713 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.690 -12.475 -12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.526 -13.791 -11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.372 -11.275 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.575 -12.367 -10.011 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.189 -9.817 -13.449 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.113 -8.870 -14.600 1.00 0.00 C ATOM 1343 C GLU A 93 -1.623 -7.499 -14.117 1.00 0.00 C ATOM 1344 O GLU A 93 -0.818 -6.856 -14.760 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.540 -8.783 -15.157 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.489 -8.200 -14.106 1.00 0.00 C ATOM 1347 CD GLU A 93 -4.453 -6.673 -14.174 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -3.658 -6.153 -14.938 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.221 -6.049 -13.459 1.00 0.00 O ATOM 0 H GLU A 93 -3.110 -9.915 -13.022 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.413 -9.204 -15.365 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.551 -8.160 -16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.882 -9.774 -15.455 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.504 -8.558 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.197 -8.537 -13.111 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.101 -7.052 -12.988 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.670 -5.733 -12.453 1.00 0.00 C ATOM 1358 C LEU A 94 -0.307 -5.841 -11.774 1.00 0.00 C ATOM 1359 O LEU A 94 -0.178 -5.596 -10.593 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.721 -5.395 -11.413 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.494 -4.173 -11.862 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.397 -3.716 -10.720 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.511 -3.054 -12.227 1.00 0.00 C ATOM 0 H LEU A 94 -2.778 -7.550 -12.410 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.578 -4.984 -13.239 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.398 -6.238 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.248 -5.207 -10.449 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.100 -4.413 -12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.960 -2.836 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.090 -4.517 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.787 -3.469 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.066 -2.173 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.907 -2.802 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.861 -3.390 -13.035 1.00 0.00 H new ATOM 1375 N ASP A 95 0.706 -6.223 -12.489 1.00 0.00 N ATOM 1376 CA ASP A 95 2.034 -6.360 -11.838 1.00 0.00 C ATOM 1377 C ASP A 95 2.934 -5.161 -12.135 1.00 0.00 C ATOM 1378 O ASP A 95 2.779 -4.474 -13.125 1.00 0.00 O ATOM 1379 CB ASP A 95 2.596 -7.684 -12.388 1.00 0.00 C ATOM 1380 CG ASP A 95 3.972 -7.482 -13.040 1.00 0.00 C ATOM 1381 OD1 ASP A 95 4.824 -6.884 -12.406 1.00 0.00 O ATOM 1382 OD2 ASP A 95 4.144 -7.930 -14.162 1.00 0.00 O ATOM 0 H ASP A 95 0.676 -6.444 -13.484 1.00 0.00 H new ATOM 0 HA ASP A 95 1.968 -6.379 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.678 -8.410 -11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.903 -8.099 -13.119 1.00 0.00 H new ATOM 1387 N GLY A 96 3.855 -4.897 -11.249 1.00 0.00 N ATOM 1388 CA GLY A 96 4.752 -3.727 -11.420 1.00 0.00 C ATOM 1389 C GLY A 96 4.267 -2.642 -10.471 1.00 0.00 C ATOM 1390 O GLY A 96 4.530 -1.469 -10.653 1.00 0.00 O ATOM 0 H GLY A 96 4.023 -5.449 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.784 -3.998 -11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.730 -3.374 -12.451 1.00 0.00 H new ATOM 1394 N ILE A 97 3.511 -3.028 -9.483 1.00 0.00 N ATOM 1395 CA ILE A 97 2.943 -2.031 -8.546 1.00 0.00 C ATOM 1396 C ILE A 97 4.019 -1.217 -7.836 1.00 0.00 C ATOM 1397 O ILE A 97 4.917 -1.735 -7.204 1.00 0.00 O ATOM 1398 CB ILE A 97 2.084 -2.845 -7.561 1.00 0.00 C ATOM 1399 CG1 ILE A 97 0.734 -2.159 -7.375 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.759 -2.971 -6.190 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.955 -0.685 -7.028 1.00 0.00 C ATOM 0 H ILE A 97 3.263 -3.998 -9.286 1.00 0.00 H new ATOM 0 HA ILE A 97 2.349 -1.285 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 97 1.958 -3.843 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.142 -2.244 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.171 -2.650 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.122 -3.552 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.720 -3.473 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.915 -1.978 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.009 -0.194 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.530 -0.611 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.501 -0.199 -7.836 1.00 0.00 H new ATOM 1413 N VAL A 98 3.889 0.067 -7.925 1.00 0.00 N ATOM 1414 CA VAL A 98 4.850 0.974 -7.239 1.00 0.00 C ATOM 1415 C VAL A 98 4.148 1.574 -6.016 1.00 0.00 C ATOM 1416 O VAL A 98 3.161 2.270 -6.140 1.00 0.00 O ATOM 1417 CB VAL A 98 5.200 2.064 -8.260 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.502 2.750 -7.844 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.380 1.432 -9.643 1.00 0.00 C ATOM 0 H VAL A 98 3.151 0.538 -8.448 1.00 0.00 H new ATOM 0 HA VAL A 98 5.753 0.466 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 98 4.395 2.798 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.752 3.525 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.377 3.200 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.305 2.014 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.629 2.207 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.185 0.698 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.454 0.940 -9.941 1.00 0.00 H new ATOM 1429 N VAL A 99 4.628 1.291 -4.836 1.00 0.00 N ATOM 1430 CA VAL A 99 3.952 1.834 -3.616 1.00 0.00 C ATOM 1431 C VAL A 99 4.736 2.977 -3.045 1.00 0.00 C ATOM 1432 O VAL A 99 5.782 3.349 -3.526 1.00 0.00 O ATOM 1433 CB VAL A 99 3.976 0.730 -2.559 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.791 0.873 -1.608 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.930 -0.619 -3.214 1.00 0.00 C ATOM 0 H VAL A 99 5.450 0.714 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 99 2.946 2.162 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 99 4.902 0.824 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.825 0.078 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.840 1.841 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.861 0.802 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.948 -1.396 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.015 -0.708 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.793 -0.735 -3.869 1.00 0.00 H new ATOM 1445 N ASP A 100 4.249 3.492 -1.974 1.00 0.00 N ATOM 1446 CA ASP A 100 4.975 4.574 -1.290 1.00 0.00 C ATOM 1447 C ASP A 100 4.472 4.717 0.140 1.00 0.00 C ATOM 1448 O ASP A 100 3.291 4.641 0.405 1.00 0.00 O ATOM 1449 CB ASP A 100 4.710 5.856 -2.075 1.00 0.00 C ATOM 1450 CG ASP A 100 5.570 5.880 -3.340 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.700 6.332 -3.256 1.00 0.00 O ATOM 1452 OD2 ASP A 100 5.085 5.445 -4.372 1.00 0.00 O ATOM 0 H ASP A 100 3.372 3.210 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 100 6.043 4.361 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.655 5.918 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.934 6.725 -1.456 1.00 0.00 H new ATOM 1457 N VAL A 101 5.352 4.951 1.057 1.00 0.00 N ATOM 1458 CA VAL A 101 4.897 5.130 2.474 1.00 0.00 C ATOM 1459 C VAL A 101 4.760 6.636 2.771 1.00 0.00 C ATOM 1460 O VAL A 101 5.733 7.365 2.770 1.00 0.00 O ATOM 1461 CB VAL A 101 5.960 4.466 3.350 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.719 4.838 4.814 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.859 2.940 3.197 1.00 0.00 C ATOM 0 H VAL A 101 6.357 5.028 0.903 1.00 0.00 H new ATOM 0 HA VAL A 101 3.924 4.677 2.666 1.00 0.00 H new ATOM 0 HB VAL A 101 6.949 4.806 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.476 4.365 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.778 5.920 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.731 4.494 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.615 2.461 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.869 2.608 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.022 2.667 2.154 1.00 0.00 H new ATOM 1473 N PRO A 102 3.530 7.050 2.961 1.00 0.00 N ATOM 1474 CA PRO A 102 3.204 8.490 3.201 1.00 0.00 C ATOM 1475 C PRO A 102 3.595 8.993 4.600 1.00 0.00 C ATOM 1476 O PRO A 102 2.852 8.836 5.548 1.00 0.00 O ATOM 1477 CB PRO A 102 1.687 8.525 3.089 1.00 0.00 C ATOM 1478 CG PRO A 102 1.235 7.141 3.407 1.00 0.00 C ATOM 1479 CD PRO A 102 2.329 6.212 2.969 1.00 0.00 C ATOM 0 HA PRO A 102 3.747 9.124 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.258 9.248 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.374 8.820 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.042 7.034 4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.303 6.911 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.435 5.371 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.127 5.796 1.982 1.00 0.00 H new